dump_xyz_mpiio.h
a1f5693fe08emaster

dump_xyz_mpiio.h
View Options

			/* -- c++ -- ---------------------------------------------------------
			LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
			http://lammps.sandia.gov, Sandia National Laboratories
			Steve Plimpton, sjplimp@sandia.gov

			Copyright (2003) Sandia Corporation. Under the terms of Contract
			DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
			certain rights in this software. This software is distributed under
			the GNU General Public License.

			See the README file in the top-level LAMMPS directory.
			------------------------------------------------------------------------- */

			#ifdef DUMP_CLASS

			DumpStyle(xyz/mpiio,DumpXYZMPIIO)

			#else

			#ifndef LMP_DUMP_XYZ_MPIIO_H
			#define LMP_DUMP_XYZ_MPIIO_H

			#include "dump_xyz.h"

			namespace LAMMPS_NS {

			class DumpXYZMPIIO : public DumpXYZ {
			public:
			DumpXYZMPIIO(class LAMMPS , int, char *);
			virtual ~DumpXYZMPIIO();

			protected:

			bigint sumFileSize; // size in bytes of the file up through this rank offset from the end of the header data
			char *headerBuffer; // buffer for holding header data

			MPI_File mpifh;
			MPI_Offset mpifo,offsetFromHeader,headerSize, currentFileSize;
			int performEstimate; // switch for write_data and write_header methods to use for gathering data and detemining filesize for preallocation vs actually writing the data
			char filecurrent; // name of file for this round (with % and replaced)

			#if defined(_OPENMP)
			int convert_string_omp(int, double *); // multithreaded version of convert_string
			#endif

			virtual void openfile();
			virtual void write_header(bigint);
			virtual void write();
			virtual void write_data(int, double *);

			virtual void init_style();

			typedef void (DumpXYZMPIIO::FnPtrData)(int, double );
			FnPtrData write_choice; // ptr to write data functions
			void write_string(int, double *);

			};

			}

			#endif
			#endif

			/* ERROR/WARNING messages:

			E: Cannot open dump file %s

			The output file for the dump command cannot be opened. Check that the
			path and name are correct.

			E: Too much per-proc info for dump

			Number of local atoms times number of columns must fit in a 32-bit
			integer for dump.

			*/

lammps/src/MPIIO/dump_xyz_mpiio.ha1f5693fe08emaster

dump_xyz_mpiio.hView Options

lammps/src/MPIIO/dump_xyz_mpiio.h
a1f5693fe08emaster

dump_xyz_mpiio.h
View Options